ArticleJournal of the American Chemical Society2010
Simulation study of chiral two-dimensional ultraviolet spectroscopy of the protein backbone.
Article in Journal of the American Chemical Society, 2010. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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Who cites it
11 citing papers in PubMed.
- Accurate Machine Learning Prediction of Protein Circular Dichroism Spectra with Embedded Density Descriptors.JACS Au · 2021Article
- Machine Learning for Electronically Excited States of Molecules.Chemical reviews · 2021Article
- Near-Ultraviolet Circular Dichroism and Two-Dimensional Spectroscopy of Polypeptides.Molecules (Basel, Switzerland) · 2021Article
- Quantum chemical calculations of tryptophan → heme electron and excitation energy transfer rates in myoglobin.Journal of computational chemistry · 2017Article
- Signatures of the Protein Folding Pathway in Two-Dimensional Ultraviolet Spectroscopy.The journal of physical chemistry letters · 2014Article
- Tracking the mechanism of fibril assembly by simulated two-dimensional ultraviolet spectroscopy.The journal of physical chemistry. A · 2013Article
- Ultrafast chemical physics: In search of molecular movies.Nature chemistry · 2012Article
- Probing amyloid fibril growth by two-dimensional near-ultraviolet spectroscopy.The journal of physical chemistry. B · 2011Article
- Two-dimensional near-ultraviolet spectroscopy of aromatic residues in amyloid fibrils: a first principles study.Physical chemistry chemical physics : PCCP · 2011Article
- Two-dimensional ultraviolet (2DUV) spectroscopic tools for identifying fibrillation propensity of protein residue sequences.Angewandte Chemie (International ed. in English) · 2010Article
- Simulation of two-dimensional ultraviolet spectroscopy of amyloid fibrils.The journal of physical chemistry. B · 2010Article
Corrections and comments
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Authors and funding
5 authors.
Funding
Abstract
Amide n-pi* and pi-pi* excitations around 200 nm are prominent spectroscopic signatures of the protein backbone, which are routinely used in ultraviolet (UV) circular dichroism for structure characterization. Recently developed ultrafast laser sources may be used to extend these studies to two dimensions. We apply a new algorithm for modeling protein electronic transitions to simulate two-dimensional UV photon echo signals in this regime and to identify signatures of protein backbone secondary (and tertiary) structure. Simulated signals for a set of globular and fibrillar proteins and their specific regions reveal characteristic patterns of helical and sheet secondary structures. We investigate how these patterns vary and converge with the size of the structural motif. Specific chiral polarization configurations of the UV pulses are found to be sensitive to aspects of the protein structure. This information significantly augments that available from linear circular dichroism.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.